Sugi Predict

Sugi Predict / Compounds / SCHEMBL3390844

SCHEMBL3390844

SCHEMBL3390844

C[C@@H]1CN(c2cc(Cl)ncn2)C[C@H](C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ OGA O60502 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ NMT1 P30419 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16382029 0.84 OGA (0.39) OGAKMT2AMMP2ADAMTS5PSEN1
SCHEMBL20898677 0.83 KIT (0.43) OGANMT1HDAC1MAPK13MAPK12
SCHEMBL20905784 0.83 KIT (0.43) OGANMT1HDAC1MAPK13MAPK12
SCHEMBL23523531 0.83 KIT (0.43) OGANMT1HDAC1MAPK13MAPK12
SCHEMBL83919 0.81 CNR2 (0.42) HTTOGAKMT2APSEN1PSEN2
SCHEMBL84512 0.81 CNR2 (0.42) HTTOGAKMT2APSEN1PSEN2
SCHEMBL84511 0.81 CNR2 (0.42) HTTOGAKMT2APSEN1PSEN2
SCHEMBL16517600 0.80 KMT2A (0.55) HTTKMT2A
SCHEMBL16517601 0.80 KMT2A (0.55) HTTKMT2A
SCHEMBL563992 0.77 TYK2 (0.43) OGAKMT2APSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791830-B1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2010-12-29 — — EP disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
US-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-03-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors JAK2, JAK3, JAK1 PTPN11 943/4885HTT 2149/4885OGA 3831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.